2-(2-chlorophenoxy)-3,4-difluoroaniline

C12H8ClF2NO — CID 62533366

IUPAC2-(2-chlorophenoxy)-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1Oc1ccccc1Cl
InChIInChI=1S/C12H8ClF2NO/c13-7-3-1-2-4-10(7)17-12-9(16)6-5-8(14)11(12)15/h1-6H,16H2
InChIKeyOAAALEYKRHCOBL-UHFFFAOYSA-N
MW255.65 g/mol
LogP3.99
Rot. Bonds2

About 2-(2-chlorophenoxy)-3,4-difluoroaniline

2-(2-chlorophenoxy)-3,4-difluoroaniline (PubChem CID 62533366) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-3,4-difluoroaniline.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-3,4-difluoroaniline
PubChem CID62533366
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name2-(2-chlorophenoxy)-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1Oc1ccccc1Cl
InChIInChI=1S/C12H8ClF2NO/c13-7-3-1-2-4-10(7)17-12-9(16)6-5-8(14)11(12)15/h1-6H,16H2
InChIKeyOAAALEYKRHCOBL-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline
CID 62670079
2-(6-amino-2,3-difluorophenoxy)benzonitrile
CID 62533416
2-[2-(6-amino-2,3-difluorophenoxy)phenyl]ethanol
CID 107711922
2-(2-chlorophenoxy)-6-fluoroaniline
CID 60790440
3-chloro-2-(2,5-dichlorophenoxy)aniline
CID 29030363
[2-(2-chlorophenoxy)-3-fluorophenyl]methanamine
CID 114069271
[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077057
3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline
CID 117095722
2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride
CID 50944455
2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
CID 10358364
4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline
CID 112740963
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-3,4-difluoroaniline?
The IUPAC name of 2-(2-chlorophenoxy)-3,4-difluoroaniline (CID 62533366) is 2-(2-chlorophenoxy)-3,4-difluoroaniline.
What is the SMILES notation for 2-(2-chlorophenoxy)-3,4-difluoroaniline?
The canonical SMILES for 2-(2-chlorophenoxy)-3,4-difluoroaniline is Nc1ccc(F)c(F)c1Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-3,4-difluoroaniline?
The InChIKey is OAAALEYKRHCOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c13-7-3-1-2-4-10(7)17-12-9(16)6-5-8(14)11(12)15/h1-6H,16H2.
What are the key properties of 2-(2-chlorophenoxy)-3,4-difluoroaniline?
2-(2-chlorophenoxy)-3,4-difluoroaniline has a molecular weight of 255.65 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-3,4-difluoroaniline is sourced from PubChem (CID 62533366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).